4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol

C14H30N2O — CID 63848432

IUPAC4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
SMILESCC(C)(C)NCC1CCN(CCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-12-13-6-9-16(10-7-13)8-4-5-11-17/h13,15,17H,4-12H2,1-3H3
InChIKeyHKYISCJQJBOXBI-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds6

About 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol

4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 63848432) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
PubChem CID63848432
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
SMILESCC(C)(C)NCC1CCN(CCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-12-13-6-9-16(10-7-13)8-4-5-11-17/h13,15,17H,4-12H2,1-3H3
InChIKeyHKYISCJQJBOXBI-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592230
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol (CID 63848432) is 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol is CC(C)(C)NCC1CCN(CCCCO)CC1.
What is the InChIKey of 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is HKYISCJQJBOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)15-12-13-6-9-16(10-7-13)8-4-5-11-17/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol?
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 63848432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).