trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

C19H32N2O2 — CID 124726359

IUPACtrans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESC[C@H](CCc1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C19H32N2O2/c1-15(8-9-17-5-4-14-23-17)20-16-10-12-21(13-11-16)18-6-2-3-7-19(18)22/h4-5,14-16,18-20,22H,2-3,6-13H2,1H3/t15-,18-,19-/m1/s1
InChIKeyBTZSJBQSCWPDMS-ATZDWAIDSA-N
MW320.48 g/mol
LogP2.96
Rot. Bonds6

About trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 124726359) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID124726359
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametrans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESC[C@H](CCc1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C19H32N2O2/c1-15(8-9-17-5-4-14-23-17)20-16-10-12-21(13-11-16)18-6-2-3-7-19(18)22/h4-5,14-16,18-20,22H,2-3,6-13H2,1H3/t15-,18-,19-/m1/s1
InChIKeyBTZSJBQSCWPDMS-ATZDWAIDSA-N
XLogP2.96
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060291
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060307
1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110060310
cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 129432736

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (CID 124726359) is trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is C[C@H](CCc1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is BTZSJBQSCWPDMS-ATZDWAIDSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15(8-9-17-5-4-14-23-17)20-16-10-12-21(13-11-16)18-6-2-3-7-19(18)22/h4-5,14-16,18-20,22H,2-3,6-13H2,1H3/t15-,18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 124726359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).