trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C22H32N4O2 — CID 154793796

IUPACtrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCOc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1
InChIKeyUYZVYUAHYAVKEU-IPKCRJEZSA-N
MW384.52 g/mol
LogP2.29
Rot. Bonds7

About trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 154793796) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID154793796
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Nametrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCOc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1
InChIKeyUYZVYUAHYAVKEU-IPKCRJEZSA-N
XLogP2.29
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
CID 146113946
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 146113945
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 154793796) is trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is COc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1.
What is the InChIKey of trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is UYZVYUAHYAVKEU-IPKCRJEZSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 384.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 154793796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).