[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine

C16H25ClN2 — CID 63088019

IUPAC[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
SMILESCC(C)(C)C1CCN(c2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-5,10,13H,6-9,11,18H2,1-3H3
InChIKeyDIRZQPUEMJPEQY-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.06
Rot. Bonds2

About [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine

[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine (PubChem CID 63088019) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
PubChem CID63088019
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
SMILESCC(C)(C)C1CCN(c2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-5,10,13H,6-9,11,18H2,1-3H3
InChIKeyDIRZQPUEMJPEQY-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine?
The IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine (CID 63088019) is [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine?
The canonical SMILES for [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine is CC(C)(C)C1CCN(c2ccc(CN)cc2Cl)CC1.
What is the InChIKey of [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine?
The InChIKey is DIRZQPUEMJPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-16(2,3)13-6-8-19(9-7-13)15-5-4-12(11-18)10-14(15)17/h4-5,10,13H,6-9,11,18H2,1-3H3.
What are the key properties of [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine?
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine has a molecular weight of 280.84 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine is sourced from PubChem (CID 63088019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).