[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol

C17H30N4O2 — CID 95144268

IUPAC[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCc1nn(CCN2CCC[C@H](CO)C2)cc1CN1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-15-17(12-20-7-9-23-10-8-20)13-21(18-15)6-5-19-4-2-3-16(11-19)14-22/h13,16,22H,2-12,14H2,1H3/t16-/m0/s1
InChIKeyXTNFMQKPGDKNLZ-INIZCTEOSA-N
MW322.45 g/mol
LogP0.73
Rot. Bonds6

About [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol (PubChem CID 95144268) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
PubChem CID95144268
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCc1nn(CCN2CCC[C@H](CO)C2)cc1CN1CCOCC1
InChIInChI=1S/C17H30N4O2/c1-15-17(12-20-7-9-23-10-8-20)13-21(18-15)6-5-19-4-2-3-16(11-19)14-22/h13,16,22H,2-12,14H2,1H3/t16-/m0/s1
InChIKeyXTNFMQKPGDKNLZ-INIZCTEOSA-N
XLogP0.73
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857205
[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
CID 95126139
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 95388512
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70740164

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol (CID 95144268) is [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol is Cc1nn(CCN2CCC[C@H](CO)C2)cc1CN1CCOCC1.
What is the InChIKey of [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol?
The InChIKey is XTNFMQKPGDKNLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-15-17(12-20-7-9-23-10-8-20)13-21(18-15)6-5-19-4-2-3-16(11-19)14-22/h13,16,22H,2-12,14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol has a molecular weight of 322.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95144268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).