amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol

C23H27N3O — CID 146648697

IUPACamino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol
SMILESNC(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12,22,25,27H,13-17,24H2
InChIKeyQNWXVQVVFCAQQZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.56
Rot. Bonds5

About amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol

amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 146648697) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nameamino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID146648697
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Nameamino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol
SMILESNC(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12,22,25,27H,13-17,24H2
InChIKeyQNWXVQVVFCAQQZ-UHFFFAOYSA-N
XLogP3.56
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol
CID 159048544
2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 126697747
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(2S)-1-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]-7-hydroxy-2,4-dimethylheptane-1,6-dione
CID 163764347
methyl (4S)-5-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-methyl-5-oxopentanoate
CID 146648671
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234

Frequently Asked Questions

What is the IUPAC name of amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol (CID 146648697) is amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol is NC(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is QNWXVQVVFCAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12,22,25,27H,13-17,24H2.
What are the key properties of amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol?
amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 361.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 146648697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).