(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol

C16H28N4O — CID 114686588

IUPAC(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H28N4O/c1-2-10-20-14(13-17-18-20)15(21)16(8-4-5-9-16)19-11-6-3-7-12-19/h13,15,21H,2-12H2,1H3
InChIKeyDYGWWKVVNVOBQK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.52
Rot. Bonds5

About (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol

(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114686588) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114686588
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H28N4O/c1-2-10-20-14(13-17-18-20)15(21)16(8-4-5-9-16)19-11-6-3-7-12-19/h13,15,21H,2-12H2,1H3
InChIKeyDYGWWKVVNVOBQK-UHFFFAOYSA-N
XLogP2.52
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
(1-ethylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059497
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398
(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
CID 114213130
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol (CID 114686588) is (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is DYGWWKVVNVOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-10-20-14(13-17-18-20)15(21)16(8-4-5-9-16)19-11-6-3-7-12-19/h13,15,21H,2-12H2,1H3.
What are the key properties of (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol?
(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 292.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).