4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate

C17H26N2O3 — CID 15676953

IUPAC4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)OCCCCO
InChIInChI=1S/C17H26N2O3/c20-12-4-5-13-22-17(21)18-16-8-10-19(11-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21)
InChIKeyDWVJORSXJMTXNF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds7

About 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate

4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate (PubChem CID 15676953) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate
PubChem CID15676953
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)OCCCCO
InChIInChI=1S/C17H26N2O3/c20-12-4-5-13-22-17(21)18-16-8-10-19(11-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21)
InChIKeyDWVJORSXJMTXNF-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate?
The IUPAC name of 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate (CID 15676953) is 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate.
What is the SMILES notation for 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate?
The canonical SMILES for 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate is O=C(NC1CCN(Cc2ccccc2)CC1)OCCCCO.
What is the InChIKey of 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate?
The InChIKey is DWVJORSXJMTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-12-4-5-13-22-17(21)18-16-8-10-19(11-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21).
What are the key properties of 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate?
4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl N-(1-benzylpiperidin-4-yl)carbamate is sourced from PubChem (CID 15676953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).