carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine

C14H22N2O3 — CID 3039058

IUPACcarbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine
SMILESNCCc1ccc(N2CCCCC2)cc1.O=C(O)O
InChIInChI=1S/C13H20N2.CH2O3/c14-9-8-12-4-6-13(7-5-12)15-10-2-1-3-11-15;2-1(3)4/h4-7H,1-3,8-11,14H2;(H2,2,3,4)
InChIKeyPNKOLALLNDUSSU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.40
Rot. Bonds3

About carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine

carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine (PubChem CID 3039058) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Namecarbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine
PubChem CID3039058
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namecarbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine
SMILESNCCc1ccc(N2CCCCC2)cc1.O=C(O)O
InChIInChI=1S/C13H20N2.CH2O3/c14-9-8-12-4-6-13(7-5-12)15-10-2-1-3-11-15;2-1(3)4/h4-7H,1-3,8-11,14H2;(H2,2,3,4)
InChIKeyPNKOLALLNDUSSU-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-Ethylphenyl)piperazine
CID 2736460
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
2-[(4-Methylphenyl)amino]acetic acid
CID 242236
Methyl(((4-(piperidin-1-yl)phenyl)methyl))amine
CID 7060582
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
1-(p-Tolyl)piperazine
CID 83113
4-Dimethylaminophenethylamine
CID 151268
N,N-dimethyl-4-{[(4-methylphenyl)amino]methyl}aniline
CID 292407
4-(Piperidin-1-ylmethyl)aniline
CID 846150
4-[(4-Methylpiperidin-1-yl)methyl]aniline
CID 1084995
4-Morpholinobenzylamine
CID 2776458
Methyl 3-methyl-4-(4-methylphenyl)-1-piperazinecarboxylate
CID 2970657

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine?
The IUPAC name of carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine (CID 3039058) is carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine.
What is the SMILES notation for carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine?
The canonical SMILES for carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine is NCCc1ccc(N2CCCCC2)cc1.O=C(O)O.
What is the InChIKey of carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine?
The InChIKey is PNKOLALLNDUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.CH2O3/c14-9-8-12-4-6-13(7-5-12)15-10-2-1-3-11-15;2-1(3)4/h4-7H,1-3,8-11,14H2;(H2,2,3,4).
What are the key properties of carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine?
carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(4-piperidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 3039058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).