4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol

C17H35NO — CID 71395080

IUPAC4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
SMILESCC(C)CCCCCC1CCN(CCCCO)CC1
InChIInChI=1S/C17H35NO/c1-16(2)8-4-3-5-9-17-10-13-18(14-11-17)12-6-7-15-19/h16-17,19H,3-15H2,1-2H3
InChIKeyACPWWYYLSGBNIU-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.08
Rot. Bonds10

About 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol

4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol (PubChem CID 71395080) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
PubChem CID71395080
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
SMILESCC(C)CCCCCC1CCN(CCCCO)CC1
InChIInChI=1S/C17H35NO/c1-16(2)8-4-3-5-9-17-10-13-18(14-11-17)12-6-7-15-19/h16-17,19H,3-15H2,1-2H3
InChIKeyACPWWYYLSGBNIU-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
2-[4-(7-methyloctyl)piperidin-1-yl]ethyl nitrate
CID 59351933
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol (CID 71395080) is 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol is CC(C)CCCCCC1CCN(CCCCO)CC1.
What is the InChIKey of 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol?
The InChIKey is ACPWWYYLSGBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-16(2)8-4-3-5-9-17-10-13-18(14-11-17)12-6-7-15-19/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol?
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 71395080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).